################################################################### # If you used Vina-GPU in your work, please cite: # # # # Tang, S.; Chen, R.; Lin, M.; Lin, Q.; Zhu, Y.; Ding, J.; Hu, H.;# # Ling, M.; Wu, J. Accelerating AutoDock Vina with GPUs. # # Molecules 2022, 27, 3041. # # https://doi.org/10.3390/molecules27093041 # # # # And also the origin AutoDock Vina paper: # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # ################################################################### WARNING: The search space volume > 27000 Angstrom^3 (See FAQ) Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -2043089728 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.1 0.000 0.000 2 -6.9 7.992 14.944 3 -6.9 16.318 21.079 4 -6.8 21.302 29.507 5 -6.7 20.418 24.977 6 -6.7 14.971 20.340 7 -6.7 19.457 25.216 8 -6.6 8.461 13.621 9 -6.6 6.257 16.277 10 -6.6 5.070 15.760 11 -6.6 17.460 23.107 12 -6.5 20.412 27.000 13 -6.5 15.410 20.720 14 -6.5 9.282 15.089 15 -6.4 17.096 22.332 16 -6.4 16.084 21.413 17 -6.4 21.099 29.421 18 -6.4 20.091 25.298 19 -6.3 17.396 23.554 20 -6.2 17.034 22.428 Writing output ... done.